CID 82545

10320-97-5

Structural Information

Molecular Formula
C11H8N4S
SMILES
C1=CC=C2C(=C1)C=CC=C2NC3=NN=NS3
InChI
InChI=1S/C11H8N4S/c1-2-6-9-8(4-1)5-3-7-10(9)12-11-13-14-15-16-11/h1-7H,(H,12,13,15)
InChIKey
NRPSYMDXSNYVNG-UHFFFAOYSA-N
Compound name
N-naphthalen-1-ylthiatriazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

228.04697 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.054246 143.9
[M+Na]+ 251.036188 155.6
[M-H]- 227.039694 148.8
[M+NH4]+ 246.080793 161.4
[M+K]+ 267.010128 150.2
[M+H-H2O]+ 211.044230 135.8
[M+HCOO]- 273.045171 163.8
[M+CH3COO]- 287.060821 157.3
[M+Na-2H]- 249.021636 151.9
[M]+ 228.04642142 146.9
[M]- 228.04751858 146.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe